N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine

C8H15N3S — CID 89228850

IUPACN-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C8H15N3S/c1-5-6-10-11-7(12-6)9-8(2,3)4/h5H2,1-4H3,(H,9,11)
InChIKeySKYHAOIOACKJAG-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.31
Rot. Bonds2

About N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine

N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 89228850) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID89228850
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C8H15N3S/c1-5-6-10-11-7(12-6)9-8(2,3)4/h5H2,1-4H3,(H,9,11)
InChIKeySKYHAOIOACKJAG-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine (CID 89228850) is N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SKYHAOIOACKJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5-6-10-11-7(12-6)9-8(2,3)4/h5H2,1-4H3,(H,9,11).
What are the key properties of N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 89228850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).